Compound Detail
CHEMBL1682337
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Basic Information
| ChEMBL ID | CHEMBL1682337 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QMPOOSSNXCXZPY-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
243.3
MW (Da)
1.07
ALogP
5
HBA
2
HBD
79.6
PSA (Ų)
0.72
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 6.64
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Rho-associated protein kinase 2 CHEMBL2973 | Ki | 6.64 | 6.64 | 230.0 | 1 |
| Tyrosine-protein kinase JAK2 CHEMBL2971 | Ki | 5.84 | 5.84 | 1453.0 | 1 |
| Glycogen synthase kinase-3 beta CHEMBL262 | Ki | 5.28 | 5.28 | 5216.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Rho-associated protein kinase 2 | Ki | = | 230.0 | nM | 6.64 | Inhibition of Rock2 after 1 hr using biotinylated longS peptide as substrate | 21282054 |
| Tyrosine-protein kinase JAK2 | Ki | = | 1453.0 | nM | 5.84 | Inhibition of JAK2 after 1 hr using biotinylated PDKtide as substrate | 21282054 |
| Glycogen synthase kinase-3 beta | Ki | = | 5216.0 | nM | 5.28 | Inhibition of GSK3-beta after 1 hr | 21282054 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21282054 | 10.1016/j.bmcl.2011.01.007 | Aurora kinase B | 1 |
| 21282054 | 10.1016/j.bmcl.2011.01.007 | Epidermal growth factor receptor | 1 |
| 21282054 | 10.1016/j.bmcl.2011.01.007 | Glycogen synthase kinase-3 beta | 1 |
| 21282054 | 10.1016/j.bmcl.2011.01.007 | Tyrosine-protein kinase JAK2 | 1 |
| 21282054 | 10.1016/j.bmcl.2011.01.007 | Vascular endothelial growth factor receptor 2 | 1 |
| 21282054 | 10.1016/j.bmcl.2011.01.007 | Serine/threonine-protein kinase PAK 4 | 1 |
| 21282054 | 10.1016/j.bmcl.2011.01.007 | Serine/threonine-protein kinase pim-1 | 1 |
| 21282054 | 10.1016/j.bmcl.2011.01.007 | Rho-associated protein kinase 2 | 1 |
Data from ChEMBL 36 via Core Engine